tert-butyl 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]acetic acid tert-butyl ester Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)OC(C)(C)C

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)OC(C)(C)C

InChI

InChI=1S/C16H19BrN2O3S/c1-5-19-14(21)11-8-10(17)6-7-12(11)18-15(19)23-9-13(20)22-16(2,3)4/h6-8H,5,9H2,1-4H3